2-cyclopropyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one

C14H22N2O5 — CID 103241964

IUPAC2-cyclopropyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one
SMILESCOCCOCCOCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H22N2O5/c1-18-4-5-19-6-7-20-8-9-21-13-10-12(17)15-14(16-13)11-2-3-11/h10-11H,2-9H2,1H3,(H,15,16,17)
InChIKeySIMUKCBFDMLARU-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.71
Rot. Bonds11

About 2-cyclopropyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one

2-cyclopropyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one (PubChem CID 103241964) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-cyclopropyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one
PubChem CID103241964
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name2-cyclopropyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one
SMILESCOCCOCCOCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H22N2O5/c1-18-4-5-19-6-7-20-8-9-21-13-10-12(17)15-14(16-13)11-2-3-11/h10-11H,2-9H2,1H3,(H,15,16,17)
InChIKeySIMUKCBFDMLARU-UHFFFAOYSA-N
XLogP0.71
TPSA82.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one (CID 103241964) is 2-cyclopropyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one is COCCOCCOCCOc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one?
The InChIKey is SIMUKCBFDMLARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-18-4-5-19-6-7-20-8-9-21-13-10-12(17)15-14(16-13)11-2-3-11/h10-11H,2-9H2,1H3,(H,15,16,17).
What are the key properties of 2-cyclopropyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one has a molecular weight of 298.34 g/mol, XLogP of 0.71, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103241964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).